SCHEMBL5332084

SCHEMBL5332084

CCC(C)C(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.69
HCRTR1 O43613 2/20 0.61
HCRTR2 O43614 2/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8245730 0.91 GRM5 (0.74) GRM5HCRTR1HCRTR2
SCHEMBL5327585 0.86 GRM5 (0.75) GRM5HCRTR1HCRTR2
SCHEMBL5332089 0.85 GRM5 (0.72) GRM5HCRTR1HCRTR2
SCHEMBL28780313 0.85 GRM5 (0.80) GRM5HCRTR1HCRTR2
SCHEMBL8242428 0.83 GRM5 (0.98) GRM5
SCHEMBL5333513 0.83 GRM5 (0.94) GRM5
SCHEMBL5306538 0.82 GRM5 (1.00) GRM5
SCHEMBL8236802 0.82 GRM5 (0.69) GRM5
SCHEMBL5628484 0.81 GRM5 (0.72) GRM5HCRTR1HCRTR2
SCHEMBL5311582 0.80 GRM5 (0.77) GRM5HCRTR1HCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007039781-A2 NEW COMPOUNDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2007-04-12 WO claimed
WO-2007039781-A2 NEW COMPOUNDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2007-04-12 WO disclosed
WO-2007039781-A2 NEW COMPOUNDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2007-04-12 WO disclosed